#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k48 n HIS 2 N 0.00 0.99 0.20 2.03 -0.00 -1.26 -4.94 115.22 112.25 2k48 n HIS 2 Ca 0.00 -1.58 0.10 0.00 -0.00 0.00 0.00 57.72 56.24 2k48 n HIS 2 Cb 0.00 -0.23 0.55 0.00 -0.00 0.00 0.00 29.99 30.31 2k48 n HIS 2 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2k48 h HIS 3 N 1.80 0.00 0.00 4.41 3.86 -2.07 -2.28 115.15 120.87 2k48 h HIS 3 Ca -0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 2k48 h HIS 3 Cb 1.46 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.93 2k48 h HIS 3 CO 0.52 0.00 0.08 0.45 0.86 0.00 0.00 177.93 179.84 2k48 h HIS 4 N 0.00 0.00 0.00 2.45 -0.00 -2.00 -1.48 115.15 114.12 2k48 h HIS 4 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2k48 h HIS 4 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.81 2k48 h HIS 4 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 177.93 175.54 2k48 n HIS 5 N -3.01 0.81 0.38 2.45 -0.00 -0.86 -1.92 115.22 113.06 2k48 n HIS 5 Ca -0.03 0.37 0.14 0.00 -0.00 0.00 0.00 57.72 58.20 2k48 n HIS 5 Cb 0.14 -1.09 0.52 0.00 -0.00 0.00 0.00 29.99 29.56 2k48 n HIS 5 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2k48 h HIS 6 N 0.00 0.00 -3.27 -1.40 3.86 -1.53 -3.45 115.15 109.36 2k48 h HIS 6 Ca 0.00 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.88 2k48 h HIS 6 Cb 0.18 0.00 0.15 0.00 1.06 0.00 0.00 27.41 28.80 2k48 h HIS 6 CO 0.00 0.00 0.23 0.72 0.86 0.00 0.00 177.93 179.74 2k48 n HIS 7 N -2.52 -3.88 -3.90 2.45 -0.00 -0.81 -5.13 115.22 101.44 2k48 n HIS 7 Ca 0.02 -0.88 -0.09 0.00 -0.00 0.00 0.00 57.72 56.77 2k48 n HIS 7 Cb 0.29 -0.86 -0.01 0.00 -0.00 0.00 0.00 29.99 29.40 2k48 n HIS 7 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 2k48 s GLY 8 N -4.79 0.42 0.04 -1.41 0.00 -1.26 -5.13 107.32 95.20 2k48 s GLY 8 Ca 0.59 -0.75 -0.04 0.00 0.00 0.00 0.00 44.72 44.52 2k48 s GLY 8 CO 0.43 -0.40 0.05 0.54 0.00 0.00 0.00 173.10 173.72 2k48 s LYS 9 N -3.18 0.58 0.86 2.90 1.02 -1.26 -5.17 119.74 115.49 2k48 s LYS 9 Ca 0.17 -0.91 -0.10 0.00 0.02 0.00 0.00 55.97 55.15 2k48 s LYS 9 Cb -0.04 0.22 0.11 0.00 -0.52 0.00 0.00 37.83 37.60 2k48 s LYS 9 CO 0.11 -0.13 1.11 -1.25 -0.92 0.00 0.00 175.35 174.27 2k48 s PRO 10 N -3.01 1.50 0.69 -1.68 0.04 -1.26 -5.01 135.00 126.28 2k48 s PRO 10 Ca -0.02 1.30 -0.17 0.00 0.04 0.00 0.00 61.00 62.16 2k48 s PRO 10 Cb 0.01 -1.80 0.02 0.00 0.04 0.00 0.00 34.50 32.77 2k48 s PRO 10 CO -0.07 -2.21 1.27 0.96 0.04 0.00 0.00 177.00 176.99 2k48 s ILE 11 N -2.78 2.05 0.83 0.56 -5.25 -1.26 -5.02 121.20 110.34 2k48 s ILE 11 Ca 0.64 0.03 -0.11 0.00 -0.99 0.00 0.00 60.65 60.22 2k48 s ILE 11 Cb -0.20 -2.84 0.09 0.00 2.95 0.00 0.00 42.46 42.46 2k48 s ILE 11 CO 0.57 -0.01 1.09 -2.16 -1.79 0.00 0.00 174.94 172.64 2k48 s PRO 12 N -3.60 1.79 0.24 0.37 0.04 -1.26 -4.99 135.00 127.58 2k48 s PRO 12 Ca 0.80 0.85 -0.31 0.00 0.04 0.00 0.00 61.00 62.37 2k48 s PRO 12 Cb -0.35 -1.87 -0.12 0.00 0.04 0.00 0.00 34.50 32.20 2k48 s PRO 12 CO 0.43 -1.88 1.67 0.09 0.04 0.00 0.00 177.00 177.35 2k48 n ASN 13 N -3.64 3.90 -4.85 6.66 3.02 -1.26 -4.99 115.26 114.11 2k48 n ASN 13 Ca 0.07 1.09 -0.30 0.00 -0.03 0.00 0.00 54.58 55.42 2k48 n ASN 13 Cb 0.55 -1.57 0.08 0.00 -0.61 0.00 0.00 39.78 38.22 2k48 n ASN 13 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2k48 s PRO 14 N 0.56 2.29 0.05 3.52 0.04 -1.26 -5.11 135.00 135.08 2k48 s PRO 14 Ca 0.71 0.47 -0.02 0.00 0.04 0.00 0.00 61.00 62.21 2k48 s PRO 14 Cb -0.51 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.04 2k48 s PRO 14 CO 0.38 -1.44 -0.01 -0.51 0.04 0.00 0.00 177.00 175.47 2k48 s LEU 15 N -5.61 2.34 0.00 -3.56 1.43 -1.26 -5.09 118.68 106.93 2k48 s LEU 15 Ca 0.60 -0.88 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 2k48 s LEU 15 Cb -0.13 0.27 0.00 0.00 0.03 0.00 0.00 46.19 46.36 2k48 s LEU 15 CO 0.52 -0.56 0.00 0.00 0.23 0.00 0.00 176.35 176.54 2k48 n LEU 16 N 0.34 0.00 0.00 1.79 -0.00 -1.26 -5.17 117.00 112.70 2k48 n LEU 16 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.85 2k48 n LEU 16 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.02 2k48 n LEU 16 CO 0.26 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.26 2k48 n GLY 17 N 0.00 -0.05 3.02 1.47 0.00 -1.26 -5.13 105.19 103.24 2k48 n GLY 17 Ca 0.00 -1.60 -0.12 0.00 0.00 0.00 0.00 46.02 44.30 2k48 n GLY 17 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k48 s LEU 18 N 0.00 1.52 0.79 0.99 2.96 -1.26 -5.17 118.68 118.50 2k48 s LEU 18 Ca 0.00 0.20 -0.12 0.00 -0.22 0.00 0.00 54.13 53.99 2k48 s LEU 18 Cb 0.00 0.47 0.07 0.00 0.50 0.00 0.00 46.19 47.23 2k48 s LEU 18 CO 0.00 -0.09 1.12 1.51 -1.32 0.00 0.00 176.35 177.57 2k48 s ASP 19 N -0.12 4.16 0.13 3.68 -4.77 -1.26 -5.09 116.67 113.40 2k48 s ASP 19 Ca -0.02 2.00 -0.16 0.00 -3.30 0.00 0.00 52.55 51.07 2k48 s ASP 19 Cb -0.02 -2.54 0.03 0.00 -1.09 0.00 0.00 42.92 39.30 2k48 s ASP 19 CO 0.00 -2.27 0.40 -0.55 0.70 0.00 0.00 175.17 173.45 2k48 s SER 20 N -2.95 -0.22 -0.31 2.11 0.15 -1.26 -5.10 113.70 106.12 2k48 s SER 20 Ca 0.65 -0.35 0.19 0.00 0.70 0.00 0.00 55.95 57.13 2k48 s SER 20 Cb -0.20 0.48 0.47 0.00 -1.71 0.00 0.00 66.02 65.05 2k48 s SER 20 CO 0.53 -0.87 1.02 0.35 1.20 0.00 0.00 173.24 175.48 2k48 n THR 21 N -0.23 0.99 0.00 6.45 -2.24 -1.26 -5.01 114.28 112.98 2k48 n THR 21 Ca -0.15 -2.89 0.23 0.00 -2.27 0.00 0.00 64.05 58.96 2k48 n THR 21 Cb 0.64 0.86 0.67 0.00 -2.10 0.00 0.00 70.33 70.39 2k48 n THR 21 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2k48 h GLU 22 N 2.81 0.00 -0.04 -0.78 5.08 -2.03 -1.50 114.58 118.12 2k48 h GLU 22 Ca -0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2k48 h GLU 22 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2k48 h GLU 22 CO 0.37 0.00 0.00 -1.71 -1.00 0.00 0.00 179.01 176.67 2k48 n ASN 23 N -3.58 1.71 -0.09 1.42 5.15 -1.26 -4.61 115.26 114.00 2k48 n ASN 23 Ca 0.12 -1.39 -0.11 0.00 -0.60 0.00 0.00 54.58 52.60 2k48 n ASN 23 Cb 0.88 -0.02 0.02 0.00 -0.53 0.00 0.00 39.78 40.13 2k48 n ASN 23 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 2k48 h LEU 24 N 1.32 0.89 0.00 1.20 6.46 -1.70 -3.46 115.31 120.01 2k48 h LEU 24 Ca 0.00 -0.39 0.00 0.00 -0.12 0.00 0.00 57.88 57.37 2k48 h LEU 24 Cb 0.34 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.02 2k48 h LEU 24 CO 0.00 1.15 0.00 0.00 -0.62 0.00 0.00 178.44 178.97 2k48 n TYR 25 N -4.06 0.00 -1.39 1.25 9.36 -1.26 -4.93 117.16 116.14 2k48 n TYR 25 Ca -0.02 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 60.89 2k48 n TYR 25 Cb 0.52 0.00 0.08 0.00 -0.63 0.00 0.00 39.34 39.31 2k48 n TYR 25 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 2k48 s PHE 26 N 0.00 2.55 0.91 2.98 0.08 -1.26 -5.05 117.98 118.19 2k48 s PHE 26 Ca 0.00 1.56 -0.11 0.00 0.12 0.00 0.00 56.93 58.50 2k48 s PHE 26 Cb 0.00 -3.10 0.14 0.00 -0.57 0.00 0.00 43.02 39.49 2k48 s PHE 26 CO 0.00 -1.81 1.10 1.14 -0.10 0.00 0.00 175.22 175.55 2k48 s GLN 27 N -4.64 1.12 0.00 0.44 -2.07 -1.26 -4.98 119.66 108.26 2k48 s GLN 27 Ca 0.63 1.16 0.00 0.00 -1.82 0.00 0.00 55.36 55.33 2k48 s GLN 27 Cb -0.18 -1.77 0.00 0.00 -1.09 0.00 0.00 33.01 29.97 2k48 s GLN 27 CO 0.52 -2.43 0.00 0.41 -1.32 0.00 0.00 175.29 172.46 2k48 n GLY 28 N -0.43 0.17 3.36 2.60 0.00 -1.26 -5.17 105.19 104.46 2k48 n GLY 28 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 2k48 n GLY 28 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2k48 s ILE 29 N 0.00 0.06 0.03 -0.61 1.10 -1.26 -5.20 121.20 115.33 2k48 s ILE 29 Ca 0.00 -0.75 -0.00 0.00 -0.51 0.00 0.00 60.65 59.39 2k48 s ILE 29 Cb 0.00 -1.34 -0.02 0.00 0.15 0.00 0.00 42.46 41.24 2k48 s ILE 29 CO 0.00 -0.29 -0.03 -1.81 -2.11 0.00 0.00 174.94 170.69 2k48 s ASP 30 N -2.84 0.35 0.02 4.50 1.01 -1.26 -5.06 116.67 113.39 2k48 s ASP 30 Ca 0.06 -0.61 0.18 0.00 0.71 0.00 0.00 52.55 52.88 2k48 s ASP 30 Cb 0.02 0.12 0.75 0.00 1.01 0.00 0.00 42.92 44.81 2k48 s ASP 30 CO -0.09 -0.36 1.56 -0.81 0.21 0.00 0.00 175.17 175.69 2k48 n PRO 31 N 1.27 0.02 0.13 8.23 -0.04 -1.26 -3.68 135.00 139.66 2k48 n PRO 31 Ca -0.22 0.22 0.09 0.00 -0.04 0.00 0.00 63.50 63.55 2k48 n PRO 31 Cb 0.56 -1.53 0.48 0.00 -0.04 0.00 0.00 33.50 32.97 2k48 n PRO 31 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2k48 n PHE 32 N -1.56 0.61 0.17 0.54 3.72 -1.26 -1.50 117.46 118.17 2k48 n PHE 32 Ca 0.04 0.31 0.03 0.00 -0.05 0.00 0.00 57.45 57.77 2k48 n PHE 32 Cb 0.21 -0.99 0.39 0.00 -0.94 0.00 0.00 39.48 38.15 2k48 n PHE 32 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 2k48 h THR 33 N 0.00 1.21 0.00 4.37 1.35 -1.93 -3.15 112.91 114.77 2k48 h THR 33 Ca 0.00 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 2k48 h THR 33 Cb 0.04 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 2k48 h THR 33 CO 0.00 0.29 -1.71 0.80 -0.25 0.00 0.00 175.52 174.65 2k48 n MET 34 N -4.20 0.50 -0.26 4.72 0.00 -0.57 -2.32 117.12 114.99 2k48 n MET 34 Ca -0.02 -0.14 -0.07 0.00 -0.00 0.00 0.00 57.70 57.47 2k48 n MET 34 Cb 0.34 -1.50 0.05 0.00 0.00 0.00 0.00 33.22 32.10 2k48 n MET 34 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2k48 h SER 35 N 0.00 1.06 -0.86 6.12 4.64 -1.64 -0.68 113.55 122.19 2k48 h SER 35 Ca 0.00 -0.20 0.03 0.00 -0.47 0.00 0.00 61.79 61.14 2k48 h SER 35 Cb 0.85 -0.28 -0.05 0.00 -0.31 0.00 0.00 62.40 62.61 2k48 h SER 35 CO 0.00 0.98 0.57 0.74 -0.87 0.00 0.00 176.83 178.25 2k48 h THR 36 N 1.08 1.16 -0.02 2.95 2.02 -1.64 -1.55 112.91 116.91 2k48 h THR 36 Ca 0.24 -0.38 0.02 0.00 0.77 0.00 0.00 66.41 67.06 2k48 h THR 36 Cb 0.30 -0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.66 2k48 h THR 36 CO -0.01 0.20 -0.08 -0.07 0.37 0.00 0.00 175.52 175.93 2k48 h LEU 37 N 1.10 -0.24 -1.14 2.58 -0.00 -0.95 0.12 115.31 116.78 2k48 h LEU 37 Ca 0.34 0.04 -0.06 0.00 -0.00 0.00 0.00 57.88 58.19 2k48 h LEU 37 Cb -0.01 0.11 -0.02 0.00 -0.00 0.00 0.00 40.66 40.74 2k48 h LEU 37 CO -0.09 -0.12 -0.09 1.56 -0.00 0.00 0.00 178.44 179.69 2k48 h GLN 38 N -0.13 0.49 -0.03 1.13 1.08 -0.51 0.17 115.11 117.30 2k48 h GLN 38 Ca 0.04 -0.13 -0.01 0.00 -1.45 0.00 0.00 58.65 57.10 2k48 h GLN 38 Cb 0.19 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.56 2k48 h GLN 38 CO -0.10 0.59 -0.01 1.49 -0.95 0.00 0.00 178.83 179.85 2k48 h GLU 39 N 0.46 0.07 0.16 1.46 4.57 -1.25 -3.17 114.58 116.88 2k48 h GLU 39 Ca 0.09 -0.03 -0.29 0.00 -1.18 0.00 0.00 59.36 57.95 2k48 h GLU 39 Cb 0.45 -0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.05 2k48 h GLU 39 CO 0.02 0.46 -1.32 1.25 -1.18 0.00 0.00 179.01 178.24 2k48 h LEU 40 N -0.33 0.53 -1.67 1.64 5.85 -0.21 0.22 115.31 121.35 2k48 h LEU 40 Ca 0.01 -0.58 -0.04 0.00 0.84 0.00 0.00 57.88 58.11 2k48 h LEU 40 Cb 0.44 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2k48 h LEU 40 CO 0.00 1.46 -0.19 -0.61 -0.34 0.00 0.00 178.44 178.76 2k48 h GLN 41 N 0.09 0.00 0.21 1.25 -0.00 -0.87 0.16 115.11 115.96 2k48 h GLN 41 Ca -0.17 0.00 -0.32 0.00 -0.00 0.00 0.00 58.65 58.16 2k48 h GLN 41 Cb 2.03 0.00 0.03 0.00 0.00 0.00 0.00 27.48 29.54 2k48 h GLN 41 CO 0.22 0.19 -1.41 1.49 0.00 0.00 0.00 178.83 179.32 2k48 h GLU 42 N 0.00 0.45 -0.69 1.69 4.57 -1.49 -3.15 114.58 115.96 2k48 h GLU 42 Ca -0.00 -0.78 0.03 0.00 -1.18 0.00 0.00 59.36 57.43 2k48 h GLU 42 Cb 0.43 0.29 -0.04 0.00 -0.16 0.00 0.00 28.75 29.27 2k48 h GLU 42 CO 0.02 1.37 0.44 -0.97 -1.18 0.00 0.00 179.01 178.69 2k48 h ASN 43 N 0.12 0.72 -0.26 1.04 -0.73 0.14 0.16 115.58 116.78 2k48 h ASN 43 Ca -0.22 -0.00 0.05 0.00 1.87 0.00 0.00 56.30 58.00 2k48 h ASN 43 Cb 2.11 -0.16 -0.08 0.00 0.27 0.00 0.00 38.32 40.47 2k48 h ASN 43 CO 0.25 0.50 -0.42 0.40 -0.37 0.00 0.00 177.43 177.79 2k48 h ILE 44 N 0.86 0.13 -0.41 2.57 1.08 -0.83 0.12 117.51 121.03 2k48 h ILE 44 Ca 0.28 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.63 2k48 h ILE 44 Cb 0.01 0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 33.88 2k48 h ILE 44 CO -0.10 0.00 -0.20 0.74 -0.69 0.00 0.00 178.15 177.89 2k48 h THR 45 N -0.41 1.28 -0.22 -0.27 2.02 -1.31 0.49 112.91 114.48 2k48 h THR 45 Ca 0.10 -1.35 -0.19 0.00 0.77 0.00 0.00 66.41 65.75 2k48 h THR 45 Cb 0.60 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 2k48 h THR 45 CO -0.48 0.45 -0.62 0.00 0.37 0.00 0.00 175.52 175.25 2k48 h ALA 46 N 0.82 0.49 0.00 6.16 0.00 -0.60 0.85 119.26 126.99 2k48 h ALA 46 Ca 0.09 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2k48 h ALA 46 Cb 0.77 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2k48 h ALA 46 CO 0.06 0.69 0.00 1.25 0.00 0.00 0.00 179.25 181.25 2k48 h HIS 47 N 0.56 0.00 0.18 0.00 6.17 -0.70 0.16 115.15 121.52 2k48 h HIS 47 Ca -0.01 0.00 -0.28 0.00 0.71 0.00 0.00 60.37 60.79 2k48 h HIS 47 Cb 1.21 0.00 0.03 0.00 2.52 0.00 0.00 27.41 31.17 2k48 h HIS 47 CO 0.07 0.00 -1.21 0.93 0.71 0.00 0.00 177.93 178.43 2k48 h GLU 48 N 0.00 0.50 -0.61 5.26 5.08 0.37 -1.91 114.58 123.28 2k48 h GLU 48 Ca 0.00 -0.78 -0.09 0.00 -1.00 0.00 0.00 59.36 57.49 2k48 h GLU 48 Cb 0.61 0.28 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 2k48 h GLU 48 CO 0.00 1.36 0.03 1.96 -1.00 0.00 0.00 179.01 181.36 2k48 h GLN 49 N 0.04 1.05 0.00 2.33 4.20 -0.67 0.26 115.11 122.32 2k48 h GLN 49 Ca -0.20 -0.31 -0.02 0.00 0.06 0.00 0.00 58.65 58.18 2k48 h GLN 49 Cb 1.93 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 29.60 2k48 h GLN 49 CO 0.23 1.01 -0.08 1.96 -0.67 0.00 0.00 178.83 181.27 2k48 h GLN 50 N 0.97 0.00 0.11 1.46 4.20 -0.78 0.48 115.11 121.55 2k48 h GLN 50 Ca 0.18 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.64 2k48 h GLN 50 Cb 0.52 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.32 2k48 h GLN 50 CO 0.03 0.08 -1.05 1.25 -0.67 0.00 0.00 178.83 178.47 2k48 h LEU 51 N 0.00 0.73 -0.79 1.46 5.85 -0.21 0.17 115.31 122.53 2k48 h LEU 51 Ca -0.00 -0.84 -0.00 0.00 0.84 0.00 0.00 57.88 57.87 2k48 h LEU 51 Cb 0.28 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 2k48 h LEU 51 CO 0.01 1.50 0.48 -0.37 -0.34 0.00 0.00 178.44 179.72 2k48 h VAL 52 N 0.06 1.22 -0.56 1.05 -1.51 -0.34 0.51 116.25 116.68 2k48 h VAL 52 Ca -0.16 -0.47 -0.10 0.00 -1.23 0.00 0.00 66.70 64.74 2k48 h VAL 52 Cb 1.76 0.12 -0.02 0.00 -2.13 0.00 0.00 31.29 31.01 2k48 h VAL 52 CO 0.20 0.23 -0.04 0.74 -1.23 0.00 0.00 177.57 177.47 2k48 h THR 53 N 1.07 1.26 -0.45 7.19 2.02 -0.95 0.72 112.91 123.79 2k48 h THR 53 Ca 0.28 -1.17 -0.03 0.00 0.77 0.00 0.00 66.41 66.26 2k48 h THR 53 Cb -0.05 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 2k48 h THR 53 CO -0.05 0.42 0.14 0.00 0.37 0.00 0.00 175.52 176.39 2k48 h ALA 54 N 1.03 1.41 -0.16 6.16 0.00 -0.04 0.69 119.26 128.35 2k48 h ALA 54 Ca 0.16 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k48 h ALA 54 Cb 0.58 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2k48 h ALA 54 CO 0.04 0.44 0.08 0.00 0.00 0.00 0.00 179.25 179.80 2k48 h ARG 55 N 0.64 0.23 0.00 0.00 2.47 -0.28 0.04 114.38 117.48 2k48 h ARG 55 Ca 0.15 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.82 2k48 h ARG 55 Cb 0.20 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.47 2k48 h ARG 55 CO -0.01 0.25 -0.11 0.37 0.56 0.00 0.00 179.97 181.03 2k48 h GLN 56 N 0.14 0.00 0.13 0.04 4.15 -0.10 0.85 115.11 120.32 2k48 h GLN 56 Ca 0.06 0.00 -0.27 0.00 0.77 0.00 0.00 58.65 59.21 2k48 h GLN 56 Cb 0.10 0.00 0.03 0.00 0.21 0.00 0.00 27.48 27.81 2k48 h GLN 56 CO -0.01 0.11 -1.12 0.87 -1.93 0.00 0.00 178.83 176.75 2k48 h LYS 57 N 0.00 0.53 -0.14 1.69 6.56 0.58 -1.45 116.57 124.34 2k48 h LYS 57 Ca -0.00 -0.74 -0.10 0.00 -1.06 0.00 0.00 60.65 58.75 2k48 h LYS 57 Cb 0.21 0.25 -0.01 0.00 -0.57 0.00 0.00 32.23 32.11 2k48 h LYS 57 CO 0.01 1.33 -0.34 1.37 -2.06 0.00 0.00 179.45 179.77 2k48 h LEU 58 N 0.09 0.30 -1.00 2.94 -0.00 -0.68 -0.80 115.31 116.16 2k48 h LEU 58 Ca -0.18 -0.11 -0.09 0.00 -0.00 0.00 0.00 57.88 57.50 2k48 h LEU 58 Cb 1.83 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 42.39 2k48 h LEU 58 CO 0.21 0.62 -0.29 0.07 -0.00 0.00 0.00 178.44 179.06 2k48 h LYS 59 N 0.25 0.37 0.00 0.17 5.09 -0.81 0.17 116.57 121.81 2k48 h LYS 59 Ca 0.03 -0.14 -0.05 0.00 0.09 0.00 0.00 60.65 60.58 2k48 h LYS 59 Cb 0.72 -0.02 -0.01 0.00 0.10 0.00 0.00 32.23 33.02 2k48 h LYS 59 CO 0.05 0.63 -0.24 0.22 -2.09 0.00 0.00 179.45 178.02 2k48 h ASP 60 N 0.33 0.00 0.91 7.07 3.58 -0.99 0.65 116.42 127.97 2k48 h ASP 60 Ca 0.05 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.27 2k48 h ASP 60 Cb 0.68 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.70 2k48 h ASP 60 CO 0.05 0.24 -1.08 0.00 -2.88 0.00 0.00 179.24 175.58 2k48 h ALA 61 N 1.76 0.33 -0.42 -0.78 0.00 -0.39 -2.33 119.26 117.42 2k48 h ALA 61 Ca -0.00 -0.93 -0.10 0.00 0.00 0.00 0.00 54.91 53.87 2k48 h ALA 61 Cb 0.74 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2k48 h ALA 61 CO 0.03 1.22 -0.16 0.93 0.00 0.00 0.00 179.25 181.27 2k48 h GLU 62 N 0.01 0.80 -0.79 0.00 5.08 -0.45 -1.69 114.58 117.53 2k48 h GLU 62 Ca -0.04 -0.29 0.08 0.00 -1.00 0.00 0.00 59.36 58.11 2k48 h GLU 62 Cb 1.82 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.96 2k48 h GLU 62 CO 0.14 0.91 0.52 -0.22 -1.00 0.00 0.00 179.01 179.35 2k48 h LYS 63 N 0.71 0.76 -0.36 2.33 1.63 -0.89 0.87 116.57 121.63 2k48 h LYS 63 Ca 0.11 -0.05 -0.16 0.00 -0.85 0.00 0.00 60.65 59.70 2k48 h LYS 63 Cb 0.66 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.11 2k48 h LYS 63 CO 0.05 0.50 -0.41 0.00 -3.45 0.00 0.00 179.45 176.14 2k48 h ALA 64 N 1.59 0.59 0.00 5.00 0.00 -0.75 -0.90 119.26 124.80 2k48 h ALA 64 Ca 0.35 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2k48 h ALA 64 Cb 0.35 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2k48 h ALA 64 CO -0.13 0.68 -0.15 -0.24 0.00 0.00 0.00 179.25 179.41 2k48 h VAL 65 N 0.72 0.29 -0.57 0.00 3.04 -1.15 0.16 116.25 118.73 2k48 h VAL 65 Ca 0.05 -1.17 -0.06 0.00 -1.01 0.00 0.00 66.70 64.51 2k48 h VAL 65 Cb 1.00 1.94 -0.02 0.00 -2.01 0.00 0.00 31.29 32.19 2k48 h VAL 65 CO 0.10 0.14 0.10 -0.08 -1.01 0.00 0.00 177.57 176.82 2k48 h GLU 66 N 0.00 0.92 0.00 4.17 4.57 -0.46 -3.27 114.58 120.50 2k48 h GLU 66 Ca -0.00 -0.22 -0.09 0.00 -1.18 0.00 0.00 59.36 57.87 2k48 h GLU 66 Cb 0.92 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.38 2k48 h GLU 66 CO 0.02 0.85 -1.58 1.55 -1.18 0.00 0.00 179.01 178.67 2k48 n VAL 67 N -4.24 0.32 -2.96 0.32 3.14 -0.37 -4.80 118.33 109.74 2k48 n VAL 67 Ca 0.04 -0.33 -0.15 0.00 -2.96 0.00 0.00 64.34 60.94 2k48 n VAL 67 Cb 0.26 -0.21 -0.01 0.00 -1.06 0.00 0.00 33.84 32.82 2k48 n VAL 67 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2k48 n ASP 68 N -2.11 -1.72 -2.69 6.55 2.03 0.55 -5.07 116.55 114.09 2k48 n ASP 68 Ca -0.09 -2.96 0.00 0.00 0.52 0.00 0.00 54.79 52.27 2k48 n ASP 68 Cb 0.54 0.76 0.00 0.00 -0.72 0.00 0.00 41.12 41.70 2k48 n ASP 68 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2k48 n PRO 69 N 1.87 0.00 -2.38 -0.67 -0.04 -1.23 -4.56 135.00 127.98 2k48 n PRO 69 Ca 0.16 -0.19 -0.33 0.00 -0.04 0.00 0.00 63.50 63.10 2k48 n PRO 69 Cb 0.57 -1.68 -0.02 0.00 -0.04 0.00 0.00 33.50 32.33 2k48 n PRO 69 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2k48 s ASP 70 N 3.71 6.20 0.46 3.54 1.01 -1.26 -4.94 116.67 125.39 2k48 s ASP 70 Ca 0.00 1.86 0.23 0.00 0.71 0.00 0.00 52.55 55.34 2k48 s ASP 70 Cb 0.00 -2.55 1.23 0.00 1.01 0.00 0.00 42.92 42.62 2k48 s ASP 70 CO 0.00 -0.88 1.88 -2.24 0.21 0.00 0.00 175.17 174.14 2k48 h ASP 71 N 1.16 0.25 -0.53 0.27 2.03 -2.00 0.13 116.42 117.73 2k48 h ASP 71 Ca -0.48 0.03 -0.05 0.00 -0.73 0.00 0.00 57.03 55.79 2k48 h ASP 71 Cb 1.22 -0.02 -0.02 0.00 -0.83 0.00 0.00 39.33 39.68 2k48 h ASP 71 CO 0.59 0.10 0.13 1.62 -1.03 0.00 0.00 179.24 180.64 2k48 h VAL 72 N 0.25 1.24 0.00 4.15 3.04 -1.96 -1.68 116.25 121.29 2k48 h VAL 72 Ca 0.44 -0.87 -0.02 0.00 -1.01 0.00 0.00 66.70 65.24 2k48 h VAL 72 Cb 1.32 0.80 -0.00 0.00 -2.01 0.00 0.00 31.29 31.39 2k48 h VAL 72 CO -0.11 0.32 -0.11 0.78 -1.01 0.00 0.00 177.57 177.43 2k48 h ASN 73 N 0.74 0.00 0.97 3.17 2.35 -1.04 0.68 115.58 122.45 2k48 h ASN 73 Ca 0.17 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.70 2k48 h ASN 73 Cb 0.34 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.68 2k48 h ASN 73 CO 0.00 0.11 -1.04 0.11 -1.65 0.00 0.00 177.43 174.96 2k48 h LYS 74 N 0.00 0.00 0.22 0.81 1.57 -1.46 -2.37 116.57 115.33 2k48 h LYS 74 Ca -0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 2k48 h LYS 74 Cb 0.40 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.74 2k48 h LYS 74 CO 0.01 0.96 -1.42 0.77 -0.57 0.00 0.00 179.45 179.20 2k48 h SER 75 N 0.00 0.72 -0.11 0.86 0.02 -0.13 -3.15 113.55 111.76 2k48 h SER 75 Ca -0.03 -0.77 0.03 0.00 -0.84 0.00 0.00 61.79 60.18 2k48 h SER 75 Cb 1.78 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 64.08 2k48 h SER 75 CO 0.13 1.61 0.08 0.74 -1.14 0.00 0.00 176.83 178.24 2k48 h THR 76 N 0.13 0.88 0.40 -2.27 2.02 0.17 -0.03 112.91 114.21 2k48 h THR 76 Ca -0.22 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 2k48 h THR 76 Cb 2.11 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.47 2k48 h THR 76 CO 0.25 0.00 -0.19 0.25 0.37 0.00 0.00 175.52 176.20 2k48 h LEU 77 N 0.00 -0.46 -2.35 2.58 7.12 -1.39 -1.11 115.31 119.70 2k48 h LEU 77 Ca 0.05 -0.07 0.02 0.00 0.13 0.00 0.00 57.88 58.01 2k48 h LEU 77 Cb 0.21 0.12 -0.00 0.00 -0.53 0.00 0.00 40.66 40.46 2k48 h LEU 77 CO -0.00 -0.20 0.09 1.56 -0.13 0.00 0.00 178.44 179.76 2k48 h GLN 78 N -0.71 0.00 -0.06 1.25 4.20 -1.15 0.26 115.11 118.90 2k48 h GLN 78 Ca -0.06 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.55 2k48 h GLN 78 Cb 0.50 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.29 2k48 h GLN 78 CO 0.09 0.00 -0.38 -0.97 -0.67 0.00 0.00 178.83 176.91 2k48 h ASN 79 N 0.00 0.43 -0.46 1.46 -0.73 -1.01 0.12 115.58 115.38 2k48 h ASN 79 Ca 0.04 -0.68 -0.12 0.00 1.87 0.00 0.00 56.30 57.41 2k48 h ASN 79 Cb 0.22 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 38.67 2k48 h ASN 79 CO -0.00 1.04 -0.19 0.03 -0.37 0.00 0.00 177.43 177.94 2k48 h ARG 80 N -0.15 0.94 0.00 6.67 2.47 0.23 -1.22 114.38 123.32 2k48 h ARG 80 Ca -0.03 -0.40 -0.04 0.00 -1.26 0.00 0.00 59.98 58.25 2k48 h ARG 80 Cb 1.04 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.33 2k48 h ARG 80 CO 0.08 1.06 -0.18 -0.09 0.56 0.00 0.00 179.97 181.39 2k48 h ARG 81 N 0.78 0.00 -0.06 0.04 2.43 -0.67 -1.24 114.38 115.65 2k48 h ARG 81 Ca 0.11 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.13 2k48 h ARG 81 Cb 0.76 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 2k48 h ARG 81 CO 0.06 0.18 -0.61 0.00 -1.51 0.00 0.00 179.97 178.09 2k48 h ALA 82 N 1.82 0.86 -0.12 2.80 0.00 -0.33 -0.82 119.26 123.46 2k48 h ALA 82 Ca -0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 2k48 h ALA 82 Cb 0.34 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2k48 h ALA 82 CO 0.02 0.74 0.01 0.00 0.00 0.00 0.00 179.25 180.02 2k48 h ALA 83 N 1.21 0.16 -1.00 0.00 0.00 -0.31 0.73 119.26 120.05 2k48 h ALA 83 Ca -0.01 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 54.90 2k48 h ALA 83 Cb 1.12 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.76 2k48 h ALA 83 CO 0.09 -0.16 0.62 0.28 0.00 0.00 0.00 179.25 180.08 2k48 h VAL 84 N -0.05 0.74 -0.43 0.00 2.07 -1.13 0.22 116.25 117.66 2k48 h VAL 84 Ca 0.03 -0.27 -0.11 0.00 0.82 0.00 0.00 66.70 67.17 2k48 h VAL 84 Cb 0.34 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 2k48 h VAL 84 CO 0.01 0.14 -0.18 -1.28 0.02 0.00 0.00 177.57 176.28 2k48 h SER 85 N 0.78 0.84 0.18 0.57 0.87 -0.87 0.26 113.55 116.19 2k48 h SER 85 Ca 0.56 -0.29 0.01 0.00 -1.23 0.00 0.00 61.79 60.84 2k48 h SER 85 Cb 0.85 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.55 2k48 h SER 85 CO -0.35 1.01 -0.28 0.74 -0.53 0.00 0.00 176.83 177.42 2k48 h THR 86 N 0.74 0.40 -0.55 2.23 2.02 0.11 -0.43 112.91 117.43 2k48 h THR 86 Ca 0.11 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.26 2k48 h THR 86 Cb 0.69 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 2k48 h THR 86 CO 0.05 0.00 0.22 -0.07 0.37 0.00 0.00 175.52 176.09 2k48 h LEU 87 N -0.53 0.76 -0.21 2.58 -0.00 -0.52 0.69 115.31 118.09 2k48 h LEU 87 Ca 0.01 -0.17 -0.09 0.00 -0.00 0.00 0.00 57.88 57.64 2k48 h LEU 87 Cb 0.53 -0.20 -0.00 0.00 -0.00 0.00 0.00 40.66 40.99 2k48 h LEU 87 CO -0.12 0.73 -0.21 -0.33 -0.00 0.00 0.00 178.44 178.50 2k48 h GLU 88 N 0.76 0.52 -0.24 1.13 4.39 -0.46 0.93 114.58 121.60 2k48 h GLU 88 Ca 0.18 -0.27 0.02 0.00 0.34 0.00 0.00 59.36 59.63 2k48 h GLU 88 Cb 0.20 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 2k48 h GLU 88 CO -0.01 0.86 0.08 1.15 -1.16 0.00 0.00 179.01 179.92 2k48 h THR 89 N 0.20 0.94 0.37 1.13 2.02 -0.93 -1.25 112.91 115.39 2k48 h THR 89 Ca 0.03 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 2k48 h THR 89 Cb 0.76 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 2k48 h THR 89 CO 0.05 0.04 -0.51 0.50 0.37 0.00 0.00 175.52 175.97 2k48 h LYS 90 N 0.19 -0.89 0.00 6.66 1.63 -0.81 -1.62 116.57 121.74 2k48 h LYS 90 Ca 0.10 0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.94 2k48 h LYS 90 Cb 0.07 0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 31.90 2k48 h LYS 90 CO -0.11 -0.59 -0.12 -0.07 -3.45 0.00 0.00 179.45 175.11 2k48 h LEU 91 N -0.92 0.00 -0.01 5.20 -0.00 -0.47 0.70 115.31 119.82 2k48 h LEU 91 Ca -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.84 2k48 h LEU 91 Cb 0.83 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.49 2k48 h LEU 91 CO -0.14 0.12 0.00 1.23 -0.00 0.00 0.00 178.44 179.65 2k48 h GLY 92 N 0.40 0.01 1.78 0.83 0.00 -1.09 0.69 103.07 105.69 2k48 h GLY 92 Ca -0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 2k48 h GLY 92 CO 0.02 0.01 -0.09 1.05 0.00 0.00 0.00 176.54 177.52 2k48 h GLU 93 N -0.27 0.28 0.08 4.80 -0.00 -0.03 -1.17 114.58 118.28 2k48 h GLU 93 Ca 0.00 -0.06 -0.00 0.00 -0.00 0.00 0.00 59.36 59.30 2k48 h GLU 93 Cb 0.28 -0.04 0.00 0.00 -0.00 0.00 0.00 28.75 28.99 2k48 h GLU 93 CO 0.00 0.39 -0.04 1.25 -0.00 0.00 0.00 179.01 180.61 2k48 h LEU 94 N 0.27 -0.09 -1.81 3.06 5.85 0.35 0.30 115.31 123.24 2k48 h LEU 94 Ca 0.06 -0.51 -0.02 0.00 0.84 0.00 0.00 57.88 58.25 2k48 h LEU 94 Cb 0.34 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 2k48 h LEU 94 CO 0.02 0.52 -0.08 0.11 -0.34 0.00 0.00 178.44 178.66 2k48 h LYS 95 N -0.75 0.02 0.01 1.25 1.57 -0.83 0.13 116.57 117.96 2k48 h LYS 95 Ca -0.01 -0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.57 2k48 h LYS 95 Cb 0.59 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 2k48 h LYS 95 CO 0.02 0.10 -0.90 -0.09 -0.57 0.00 0.00 179.45 178.01 2k48 h ARG 96 N 0.02 0.08 -0.49 3.15 1.12 -1.14 -1.23 114.38 115.89 2k48 h ARG 96 Ca 0.00 -0.10 -0.01 0.00 -1.11 0.00 0.00 59.98 58.76 2k48 h ARG 96 Cb 0.16 0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 30.13 2k48 h ARG 96 CO 0.01 0.92 0.27 1.96 -3.11 0.00 0.00 179.97 180.03 2k48 h GLN 97 N 0.04 0.68 -0.09 0.20 4.20 0.74 -2.30 115.11 118.57 2k48 h GLN 97 Ca -0.03 -0.08 0.03 0.00 0.06 0.00 0.00 58.65 58.64 2k48 h GLN 97 Cb 1.56 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 29.17 2k48 h GLN 97 CO 0.13 0.53 -0.11 -0.07 -0.67 0.00 0.00 178.83 178.63 2k48 h LEU 98 N 0.65 -0.35 -2.30 1.46 4.07 -0.96 0.17 115.31 118.05 2k48 h LEU 98 Ca 0.17 0.07 0.04 0.00 0.08 0.00 0.00 57.88 58.24 2k48 h LEU 98 Cb 0.04 0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.94 2k48 h LEU 98 CO -0.03 -0.15 0.17 0.00 -1.08 0.00 0.00 178.44 177.35 2k48 h ALA 99 N 0.91 1.67 0.09 1.53 0.00 -0.89 0.42 119.26 123.00 2k48 h ALA 99 Ca 0.07 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 2k48 h ALA 99 Cb 0.25 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.06 2k48 h ALA 99 CO -0.18 -0.24 -0.64 0.22 0.00 0.00 0.00 179.25 178.41 2k48 h ASP 100 N 0.00 0.31 -0.08 0.00 3.58 -0.82 -3.27 116.42 116.14 2k48 h ASP 100 Ca 0.06 -0.95 0.04 0.00 0.42 0.00 0.00 57.03 56.61 2k48 h ASP 100 Cb 0.41 -0.10 -0.05 0.00 1.72 0.00 0.00 39.33 41.30 2k48 h ASP 100 CO -0.00 1.30 -0.24 -0.07 -2.88 0.00 0.00 179.24 177.35 2k48 h LEU 101 N -0.57 -0.73 -0.36 2.28 4.07 0.41 -3.09 115.31 117.32 2k48 h LEU 101 Ca -0.12 0.11 -0.04 0.00 0.08 0.00 0.00 57.88 57.91 2k48 h LEU 101 Cb 1.46 0.32 -0.01 0.00 1.08 0.00 0.00 40.66 43.50 2k48 h LEU 101 CO 0.09 -0.30 0.05 0.58 -1.08 0.00 0.00 178.44 177.79 2k48 h VAL 102 N -0.33 1.24 0.00 1.22 2.07 -0.39 0.66 116.25 120.72 2k48 h VAL 102 Ca 0.09 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.76 2k48 h VAL 102 Cb 0.46 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 2k48 h VAL 102 CO -0.27 0.28 0.00 0.00 0.02 0.00 0.00 177.57 177.60 2k48 n ALA 103 N -2.35 1.76 0.00 1.67 0.00 -1.20 -1.58 120.51 118.81 2k48 n ALA 103 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2k48 n ALA 103 Cb 0.23 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.61 2k48 n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k48 n ALA 104 N -0.76 1.14 0.24 0.00 0.00 -0.16 -4.68 120.51 116.29 2k48 n ALA 104 Ca 0.03 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.56 2k48 n ALA 104 Cb 0.01 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.05 2k48 n ALA 104 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2k48 h GLN 105 N 0.00 0.00 0.00 0.00 3.07 0.07 -3.04 115.11 115.21 2k48 h GLN 105 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.68 2k48 h GLN 105 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.55 2k48 h GLN 105 CO 0.00 0.20 -0.29 0.87 0.09 0.00 0.00 178.83 179.70 2k48 h LYS 106 N 0.00 0.00 0.00 0.06 1.57 -1.82 -3.49 116.57 112.89 2k48 h LYS 106 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2k48 h LYS 106 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2k48 h LYS 106 CO 0.03 0.29 0.00 1.28 -0.57 0.00 0.00 179.45 180.48